- InChI
- InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-9-10-15-20-17(19)16-11-13-18-14-12-16/h2,11-14H,1,3-10,15H2
- InChI Key
- AWNIUCNJDXAPLZ-UHFFFAOYSA-N
- Formula
- C17H25NO2
- SMILES
- C=CCCCCCCCCCOC(=O)c1ccncc1
- Molecular Weight1
- 275.39
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8356 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -330.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.545 | Crippen Calculated Property | |
| McVol | 239.750 | ml/mol | McGowan Calculated Property |
| Pc | 1702.14 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1960.00; 1960.00] |
|
|
| Inp | 1960.00 | NIST | |
| Inp | 1960.00 | NIST | |
| Tboil | 632.94 | K | Relay (1.0) Calculated Property |
| Tc | 828.00 | K | Relay (1.0) Calculated Property |
| Tfus | 303.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinic acid, undec-10-enyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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